Geometry & MOs

Info

ID:	340595
PubChem CID:	127262606
Reduced:	O2N3H11C13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	298.098728
ΔH_f, kcal/mol:	-13.96
Dipole, Da:	3.75
IP(EA), eV:	-9.01(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(methanesulfonamido)-2-piperidin-1-ylbenzoic acid

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(C=C(C=C2)O)C(=N1)C3=CC=CN3

DOS

IR

Vibrations